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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-111702
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Er', 'S']
  • Chemical System: Ba-Er-S
  • Density: 5.649090743580689
  • Atomic Density: 0.039682611784485546
  • Unit Cell Volume: 705.5987179489778
  • Molar Volume: 15.175767141301009
  • Full Formula: Ba4 Er8 S16
  • Reduced Formula: Ba(ErS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm